(2-iodophenyl)methanimine

C7H6IN — CID 91565501

IUPAC(2-iodophenyl)methanimine
SMILES[H]/N=C/c1ccccc1I
InChIInChI=1S/C7H6IN/c8-7-4-2-1-3-6(7)5-9/h1-5,9H/b9-5+
InChIKeyBSNOIHUPSXIYSW-WEVVVXLNSA-N
MW231.04 g/mol
LogP2.29
Rot. Bonds1

About (2-iodophenyl)methanimine

(2-iodophenyl)methanimine (PubChem CID 91565501) has the molecular formula C7H6IN and a molecular weight of 231.04 g/mol. Its IUPAC name is (2-iodophenyl)methanimine.

Molecular Properties

Compound Name(2-iodophenyl)methanimine
PubChem CID91565501
Molecular FormulaC7H6IN
Molecular Weight231.04 g/mol
Exact Mass230.95
IUPAC Name(2-iodophenyl)methanimine
SMILES[H]/N=C/c1ccccc1I
InChIInChI=1S/C7H6IN/c8-7-4-2-1-3-6(7)5-9/h1-5,9H/b9-5+
InChIKeyBSNOIHUPSXIYSW-WEVVVXLNSA-N
XLogP2.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)methanimine?
The IUPAC name of (2-iodophenyl)methanimine (CID 91565501) is (2-iodophenyl)methanimine.
What is the SMILES notation for (2-iodophenyl)methanimine?
The canonical SMILES for (2-iodophenyl)methanimine is [H]/N=C/c1ccccc1I.
What is the InChIKey of (2-iodophenyl)methanimine?
The InChIKey is BSNOIHUPSXIYSW-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H6IN/c8-7-4-2-1-3-6(7)5-9/h1-5,9H/b9-5+.
What are the key properties of (2-iodophenyl)methanimine?
(2-iodophenyl)methanimine has a molecular weight of 231.04 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)methanimine is sourced from PubChem (CID 91565501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).